N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide

C20H14Cl2N2OS2 — CID 16874469

IUPACN-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide
SMILESCc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C20H14Cl2N2OS2/c1-10-11(2)26-20(24-18(25)13-8-7-12(21)9-14(13)22)17(10)19-23-15-5-3-4-6-16(15)27-19/h3-9H,1-2H3,(H,24,25)
InChIKeyXXPUFENJWUONQQ-UHFFFAOYSA-N
MW433.39 g/mol
LogP7.20
Rot. Bonds3

About N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide

N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide (PubChem CID 16874469) has the molecular formula C20H14Cl2N2OS2 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide
PubChem CID16874469
Molecular FormulaC20H14Cl2N2OS2
Molecular Weight433.39 g/mol
Exact Mass431.99
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide
SMILESCc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2nc3ccccc3s2)c1C
InChIInChI=1S/C20H14Cl2N2OS2/c1-10-11(2)26-20(24-18(25)13-8-7-12(21)9-14(13)22)17(10)19-23-15-5-3-4-6-16(15)27-19/h3-9H,1-2H3,(H,24,25)
InChIKeyXXPUFENJWUONQQ-UHFFFAOYSA-N
XLogP7.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,6-difluorobenzamide
CID 16874519
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,4-dichlorobenzamide
CID 4548799
methyl 3-(1,3-benzothiazol-2-yl)-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993769
2-(benzenesulfonamido)-N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]benzamide
CID 16874544
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 18580121
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 16874501
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18580114
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2-phenylsulfanylacetamide
CID 16874537
methyl 4-(1,3-benzothiazol-2-yl)-5-[(2,5-dichlorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108738881
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide (CID 16874469) is N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide is Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2nc3ccccc3s2)c1C.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide?
The InChIKey is XXPUFENJWUONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2OS2/c1-10-11(2)26-20(24-18(25)13-8-7-12(21)9-14(13)22)17(10)19-23-15-5-3-4-6-16(15)27-19/h3-9H,1-2H3,(H,24,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide?
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide has a molecular weight of 433.39 g/mol, XLogP of 7.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 16874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).